20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile

C132H80N8O4S — CID 157357677

About 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile

20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile (PubChem CID 157357677) has the molecular formula C132H80N8O4S and a molecular weight of 1874.21 g/mol. Its IUPAC name is 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile.

Molecular Properties

• Compound Name: 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile
• PubChem CID: 157357677
• Molecular Formula: C132H80N8O4S
• Molecular Weight: 1874.21 g/mol
• Exact Mass: 1872.60
• IUPAC Name: 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile
• SMILES: Cc1ccc2c(-c3cccnc3)cc3cc4c(cc3c2n1)oc1ccccc14.Cc1cnc2c(c1)c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)oc1ccccc13.N#Cc1ccnc2c1c(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)cc1cc3c(cc12)sc1ccccc13.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc4c4cnccc34)oc3ccccc35)cc2)cc1
• InChI: InChI=1S/C38H21N3S.C37H24N2O.C32H19NO2.C25H16N2O/c39-22-24-16-17-40-38-30-21-36-32(28-11-5-7-13-35(28)42-36)20-25(30)19-29(37(24)38)23-14-15-34-31(18-23)27-10-4-6-12-33(27)41(34)26-8-2-1-3-9-26;1-3-9-27(10-4-1)39(28-11-5-2-6-12-28)29-17-15-25(16-18-29)32-21-26-22-34-31-13-7-8-14-36(31)40-37(34)23-33(26)35-24-38-20-19-30(32)35;1-18-12-27-23(19-10-11-30-25(13-19)21-6-2-4-8-28(21)34-30)14-20-15-26-22-7-3-5-9-29(22)35-31(26)16-24(20)32(27)33-17-18;1-15-8-9-19-20(16-5-4-10-26-14-16)11-17-12-22-18-6-2-3-7-23(18)28-24(22)13-21(17)25(19)27-15/h1-21H;1-24H;2-17H,1H3;2-14H,1H3
• InChIKey: BIGYNAXGSSCOEF-UHFFFAOYSA-N
• XLogP: 36.64
• TPSA: 148.97 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1874.21
LogP ≤ 5	36.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile?

The IUPAC name of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile (CID 157357677) is 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile.

What is the SMILES notation for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile?

The canonical SMILES for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile is Cc1ccc2c(-c3cccnc3)cc3cc4c(cc3c2n1)oc1ccccc14.Cc1cnc2c(c1)c(-c1ccc3oc4ccccc4c3c1)cc1cc3c(cc12)oc1ccccc13.N#Cc1ccnc2c1c(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)cc1cc3c(cc12)sc1ccccc13.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc4c4cnccc34)oc3ccccc35)cc2)cc1.

What is the InChIKey of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile?

The InChIKey is BIGYNAXGSSCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3S.C37H24N2O.C32H19NO2.C25H16N2O/c39-22-24-16-17-40-38-30-21-36-32(28-11-5-7-13-35(28)42-36)20-25(30)19-29(37(24)38)23-14-15-34-31(18-23)27-10-4-6-12-33(27)41(34)26-8-2-1-3-9-26;1-3-9-27(10-4-1)39(28-11-5-2-6-12-28)29-17-15-25(16-18-29)32-21-26-22-34-31-13-7-8-14-36(31)40-37(34)23-33(26)35-24-38-20-19-30(32)35;1-18-12-27-23(19-10-11-30-25(13-19)21-6-2-4-8-28(21)34-30)14-20-15-26-22-7-3-5-9-29(22)35-31(26)16-24(20)32(27)33-17-18;1-15-8-9-19-20(16-5-4-10-26-14-16)11-17-12-22-18-6-2-3-7-23(18)28-24(22)13-21(17)25(19)27-15/h1-21H;1-24H;2-17H,1H3;2-14H,1H3.

What are the key properties of 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile?

20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile has a molecular weight of 1874.21 g/mol, XLogP of 36.64, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-(9-phenylcarbazol-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-18-carbonitrile is sourced from PubChem (CID 157357677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).